Mol:
509-24-0.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0
4.6648 -1.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6220 -1.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4658 -2.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6648 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6997 -4.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7265 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9604 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0260 -5.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9912 -5.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5435 -0.9393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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8 10 1 1 0 0
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9 11 1 0 0 0
11 12 1 0 0 0
15 13 1 1 0 0
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M END
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宋果灵 MDL:
MFCD04037233
宋果灵 InChIKey:
CBOSLVQFGANWTL-UHFFFAOYSA-N
宋果灵 Inchi:
1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3
宋果灵 SMILES:
O([H])C1([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])N(C([H])([H])C([H])([H])[H])C3([H])C4([H])C([H])([H])C2([H])C31C1([H])C([H])([H])C(C2([H])C(=C([H])[H])C([H])(C41C2([H])[H])O[H])=O
宋果灵 BRN:
0045107